N'-(4-ethylcycloheptyl)ethane-1,2-diamine

C11H24N2 — CID 65083098

IUPACN'-(4-ethylcycloheptyl)ethane-1,2-diamine
SMILESCCC1CCCC(NCCN)CC1
InChIInChI=1S/C11H24N2/c1-2-10-4-3-5-11(7-6-10)13-9-8-12/h10-11,13H,2-9,12H2,1H3
InChIKeyZSNUTMYCPZRQIT-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds4

About N'-(4-ethylcycloheptyl)ethane-1,2-diamine

N'-(4-ethylcycloheptyl)ethane-1,2-diamine (PubChem CID 65083098) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-(4-ethylcycloheptyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylcycloheptyl)ethane-1,2-diamine
PubChem CID65083098
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-(4-ethylcycloheptyl)ethane-1,2-diamine
SMILESCCC1CCCC(NCCN)CC1
InChIInChI=1S/C11H24N2/c1-2-10-4-3-5-11(7-6-10)13-9-8-12/h10-11,13H,2-9,12H2,1H3
InChIKeyZSNUTMYCPZRQIT-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxyethyl)-4-ethylcycloheptan-1-amine
CID 65084124
N-(2-cyclopentylethyl)-4-ethylcyclohexan-1-amine
CID 63450135
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
4-[(4-ethylcycloheptyl)amino]butanoic acid
CID 65083390
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cycloheptan-1-amine
CID 114515181
N-(2,2-dimethylbutyl)-4-ethylcycloheptan-1-amine
CID 103460646
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclopentylethane-1,2-diamine;dihydrochloride
CID 154725501
N'-cyclohexyl-N-(4-ethylcycloheptyl)-N'-methylpropane-1,3-diamine
CID 65083055
N-(4-ethylcycloheptyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65083762
N-[2-(cyclohexen-1-yl)ethyl]-4-ethylcycloheptan-1-amine
CID 65082862
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcycloheptyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-ethylcycloheptyl)ethane-1,2-diamine (CID 65083098) is N'-(4-ethylcycloheptyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylcycloheptyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylcycloheptyl)ethane-1,2-diamine is CCC1CCCC(NCCN)CC1.
What is the InChIKey of N'-(4-ethylcycloheptyl)ethane-1,2-diamine?
The InChIKey is ZSNUTMYCPZRQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-2-10-4-3-5-11(7-6-10)13-9-8-12/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N'-(4-ethylcycloheptyl)ethane-1,2-diamine?
N'-(4-ethylcycloheptyl)ethane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcycloheptyl)ethane-1,2-diamine is sourced from PubChem (CID 65083098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).